General Information of the Compound
| Compound ID |
CP0938692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131411249
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H47F3N4O7
|
||||||||||||||||||
| Molecular Weight |
728.809
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H47F3N4O7/c1-24-19-45(25(2)22-46)36(47)31-18-30(43-37(48)42-29-11-9-28(10-12-29)38(39,40)41)13-15-32(31)52-26(3)7-5-6-16-49-35(24)21-44(4)20-27-8-14-33-34(17-27)51-23-50-33/h8-15,17-18,24-26,35,46H,5-7,16,19-23H2,1-4H3,(H2,42,43,48)/t24-,25+,26-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZRMYYQDLQFCEK-LFSBMLFJSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound